5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine

C11H20N4S — CID 104925499

IUPAC5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine
SMILESCSCCCCCNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4S/c1-9-10(2)14-15-11(13-9)12-7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,13,15)
InChIKeyGHIUFPSXXDOAHQ-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.43
Rot. Bonds7

About 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine (PubChem CID 104925499) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine
PubChem CID104925499
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine
SMILESCSCCCCCNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4S/c1-9-10(2)14-15-11(13-9)12-7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,13,15)
InChIKeyGHIUFPSXXDOAHQ-UHFFFAOYSA-N
XLogP2.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine (CID 104925499) is 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine is CSCCCCCNc1nnc(C)c(C)n1.
What is the InChIKey of 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine?
The InChIKey is GHIUFPSXXDOAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9-10(2)14-15-11(13-9)12-7-5-4-6-8-16-3/h4-8H2,1-3H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine has a molecular weight of 240.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(5-methylsulfanylpentyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 104925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).